CID 454155

16f-5androsten-17one

Structural Information

Molecular Formula
C19H29FO
SMILES
CC12CCCCC1CCC3C2CCC4(C3CC(C4=O)F)C
InChI
InChI=1S/C19H29FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h12-16H,3-11H2,1-2H3
InChIKey
KYYGZDIWMMQTCH-UHFFFAOYSA-N
Compound name
16-fluoro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

292.22025 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22753 173.6
[M+Na]+ 315.20947 178.7
[M-H]- 291.21297 176.4
[M+NH4]+ 310.25407 197.7
[M+K]+ 331.18341 172.6
[M+H-H2O]+ 275.21751 166.1
[M+HCOO]- 337.21845 182.1
[M+CH3COO]- 351.23410 182.5
[M+Na-2H]- 313.19492 172.7
[M]+ 292.21970 163.7
[M]- 292.22080 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe